MedKoo Cat#: 145196 | Name: D3S-001

Description:

WARNING: This product is for research use only, not for human or veterinary use.

D3S-001 is a KRAS G12C inhibitor. D3S-001 is a next generation GDP-bound G12C inhibitor with faster target engagement (TE) kinetics that depletes cellular active KRAS G12C at nanomolar concentrations. The high covalent potency and cellular TE efficiency of D3S-001 contributes to robust anti-tumor activity preclinically.

Chemical Structure

D3S-001
D3S-001
CAS#2706637-43-4

Theoretical Analysis

MedKoo Cat#: 145196

Name: D3S-001

CAS#: 2706637-43-4

Chemical Formula: C32H35F6N7O3

Exact Mass: 679.2706

Molecular Weight: 679.67

Elemental Analysis: C, 56.55; H, 5.19; F, 16.77; N, 14.43; O, 7.06

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
D3S-001; D3S001; D3S 001;
IUPAC/Chemical Name
2-((S)-4-((S)-7-(3-amino-2-fluoro-5-methyl-6-(trifluoromethyl)phenyl)-2-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-1-(2-fluoroacryloyl)piperazin-2-yl)acetonitrile
InChi Key
JOLORSRKBHXPFT-PNGHJTAWSA-N
InChi Code
1S/C32H35F6N7O3/c1-17-10-22(40)27(35)25(26(17)32(36,37)38)24-11-23-21(15-47-24)28(43-8-9-45(29(46)18(2)33)20(14-43)4-6-39)42-30(41-23)48-16-31-5-3-7-44(31)13-19(34)12-31/h10,19-20,24H,2-5,7-9,11-16,40H2,1H3/t19-,20+,24+,31+/m1/s1
SMILES Code
CC1=CC(N)=C(F)C([C@@H]2CC3=C(CO2)C(=NC(OC[C@@]45CCCN4C[C@H](F)C5)=N3)N6CCN([C@@H](CC#N)C6)C(=O)C(F)=C)=C1C(F)(F)F
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 679.67 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Zhang J, Lim SM, Yu MR, Chen C, Wang J, Wang W, Rui H, Lu J, Lu S, Mok T, Chen ZJ, Cho BC. D3S-001, a KRAS G12C inhibitor with rapid target engagement kinetics, overcomes nucleotide cycling and demonstrates robust preclinical and clinical activities. Cancer Discov. 2024 May 8. doi: 10.1158/2159-8290.CD-24-0006. Epub ahead of print. PMID: 38717075.